3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C20H22Cl3NO — CID 45265427

IUPAC3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21Cl2NO.ClH/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17;/h1-8,17-20,23H,9-12H2;1H
InChIKeyIZVXZZFCJYXMKE-UHFFFAOYSA-N
MW398.76 g/mol
LogP5.80
Rot. Bonds4

About 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 45265427) has the molecular formula C20H22Cl3NO and a molecular weight of 398.76 g/mol. Its IUPAC name is 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID45265427
Molecular FormulaC20H22Cl3NO
Molecular Weight398.76 g/mol
Exact Mass397.08
IUPAC Name3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21Cl2NO.ClH/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17;/h1-8,17-20,23H,9-12H2;1H
InChIKeyIZVXZZFCJYXMKE-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 45265427) is 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is IZVXZZFCJYXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO.ClH/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17;/h1-8,17-20,23H,9-12H2;1H.
What are the key properties of 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 398.76 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 45265427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).